Changeset 76c0d6 for src/unittests/PlaneUnittest.cpp

Timestamp:

Jun 4, 2010, 9:28:46 AM (15 years ago)

Author:

Tillmann Crueger <crueger@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable

Children:

2c8934

Parents:

e05826 (diff), 27ac00 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'StructureRefactoring' into stable

Conflicts:

molecuilder/src/Makefile.am
molecuilder/src/periodentafel.cpp

File:

• src/unittests/PlaneUnittest.cpp (modified) (2 diffs)

src/unittests/PlaneUnittest.cpp ¶

@@ -17 +17 @@
 
 #include "vector.hpp"
+#include "Line.hpp"
 
 CPPUNIT_TEST_SUITE_REGISTRATION( PlaneUnittest );
@@ -153 +154 @@
   CPPUNIT_ASSERT(fabs(p4->distance(e1)-1) < MYEPSILON);
   CPPUNIT_ASSERT_EQUAL(zeroVec,p4->getClosestPoint(e1));
-
-
-}
+}
+
+void PlaneUnittest::mirrorTest(){
+  Vector fixture;
+
+  // some Vectors that lie on the planes
+  fixture = p1->mirrorVector(e1);
+  CPPUNIT_ASSERT_EQUAL(fixture,e1);
+  fixture = p1->mirrorVector(e2);
+  CPPUNIT_ASSERT_EQUAL(fixture,e2);
+  fixture = p1->mirrorVector(e3);
+  CPPUNIT_ASSERT_EQUAL(fixture,e3);
+
+  fixture = p2->mirrorVector(zeroVec);
+  CPPUNIT_ASSERT_EQUAL(fixture,zeroVec);
+  fixture = p2->mirrorVector(e1);
+  CPPUNIT_ASSERT_EQUAL(fixture,e1);
+  fixture = p2->mirrorVector(e2);
+  CPPUNIT_ASSERT_EQUAL(fixture,e2);
+
+  fixture = p3->mirrorVector(zeroVec);
+  CPPUNIT_ASSERT_EQUAL(fixture,zeroVec);
+  fixture = p3->mirrorVector(e1);
+  CPPUNIT_ASSERT_EQUAL(fixture,e1);
+  fixture = p3->mirrorVector(e3);
+  CPPUNIT_ASSERT_EQUAL(fixture,e3);
+
+  fixture = p4->mirrorVector(zeroVec);
+  CPPUNIT_ASSERT_EQUAL(fixture,zeroVec);
+  fixture = p4->mirrorVector(e2);
+  CPPUNIT_ASSERT_EQUAL(fixture,e2);
+  fixture = p4->mirrorVector(e3);
+  CPPUNIT_ASSERT_EQUAL(fixture,e3);
+
+  // some Vectors outside of the planes
+  {
+    Vector t = (2./3.)*(e1+e2+e3);
+    fixture = p1->mirrorVector(zeroVec);
+    CPPUNIT_ASSERT_EQUAL(fixture,t);
+  }
+
+  fixture = p2->mirrorVector(e3);
+  CPPUNIT_ASSERT_EQUAL(fixture,-1*e3);
+  fixture = p3->mirrorVector(e2);
+  CPPUNIT_ASSERT_EQUAL(fixture,-1*e2);
+  fixture = p4->mirrorVector(e1);
+  CPPUNIT_ASSERT_EQUAL(fixture,-1*e1);
+}
+
+void PlaneUnittest::LineIntersectionTest(){
+  Vector fixture;
+  // plane at (0,0,0) normal to (1,0,0) cuts line from (0,0,0) to (2,1,0) at ???
+  Line l1 = makeLineThrough(zeroVec,Vector(2,1,0));
+  CPPUNIT_ASSERT_NO_THROW(fixture = Plane(e1, zeroVec).GetIntersection(l1) );
+  CPPUNIT_ASSERT_EQUAL( zeroVec, fixture );
+
+  // plane at (2,1,0) normal to (0,1,0) cuts line from (1,0,0) to (0,1,1) at ???
+  Line l2 = makeLineThrough(e1,Vector(0,1,1));
+  CPPUNIT_ASSERT_NO_THROW(fixture = Plane(e2, Vector(2,1,0)).GetIntersection(l2) );
+  CPPUNIT_ASSERT_EQUAL( Vector(0., 1., 1.), fixture );
+}